O5-{4-[(Dipropylamino)sulfonyl]benzoyl}-1,3-benzodioxole-5-carbohydroximamide

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Systematic / IUPAC Name: N'-{[4-(Dipropylsulfamoyl)benzoyl]oxy}-1,3-benzodioxole-5-carboximidamide

ID: Reference6387

Other Names: 1,3-Benzodioxole-5-carboximidamide, N'-({4-[(dipropylamino)sulfonyl]benzoyl}oxy)-

Formula: C21H25N3O6S

Spectral Data

O5-{4-[(Dipropylamino)sulfonyl]benzoyl}-1,3-benzodioxole-5-carbohydroximamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 94
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/28/2017 7:03:15 AM
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Identificators

InChI InChI=1S/C21H25N3O6S/c1-3-11-24(12-4-2)31(26,27)17-8-5-15(6-9-17)21(25)30-23-20(22)16-7-10-18-19(13-16)29-14-28-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,22,23)
InChI Key KGJSBKBCIYLBLB-UHFFFAOYSA-N
Canonical SMILES CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)ON=C(C2=CC3=C(C=C2)OCO3)N
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Other Names 1,3-Benzodioxole-5-carboximidamide, N'-({4-[(dipropylamino)sulfonyl]benzoyl}oxy)-

In Other Databases

ChemSpider 2082235
PubChem 5713542; 2803598; 5911623